Bioactive Compounds
Drug-like bioactive compounds for NAFLD-related targets (i.e., therapeutic targets in NAFLDkb) are extracted from ChEMBL. Detailed information and structure for each compound are provided, along with knowledge graphs linked with related therapeutic targets.
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147604 records.
| Compound ID | Source ID | Source Type | Compound Name | Molecular Weight | Molecular Formula | Molecular Species | |
|---|---|---|---|---|---|---|---|
| B141401 | CHEMBL4782776 | -- | -- | 4480.14 | C205H313N45O63S2 | None | Details |
| B141402 | CHEMBL4782855 | -- | -- | 5100.67 | C237H349N49O76 | None | Details |
| B141403 | CHEMBL4782925 | -- | -- | 372.35 | C16H19F3N4O3 | ACID | Details |
| B141404 | CHEMBL4782926 | -- | -- | 530.49 | C21H30N4O12 | ACID | Details |
| B141405 | CHEMBL4783001 | -- | -- | 309.84 | C16H24ClN3O | NEUTRAL | Details |
| B141406 | CHEMBL4783024 | -- | -- | 445.35 | C23H22Cl2N2O3 | NEUTRAL | Details |
| B141407 | CHEMBL4783029 | -- | -- | 333.82 | C18H20ClNO3 | NEUTRAL | Details |
| B141408 | CHEMBL4783033 | -- | -- | 512.68 | C31H32N2O3S | ACID | Details |
| B141409 | CHEMBL4783085 | -- | -- | 359.43 | C19H25N3O4 | ACID | Details |
| B141410 | CHEMBL4783088 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B141411 | CHEMBL4783190 | -- | -- | 471.57 | C30H30FNO3 | ZWITTERION | Details |
| B141412 | CHEMBL4783205 | -- | -- | 641.72 | C36H37F2N5O4 | NEUTRAL | Details |
| B141413 | CHEMBL4783278 | -- | -- | 547.58 | C28H40Cl2N6O | BASE | Details |
| B141414 | CHEMBL4783291 | -- | -- | 502.55 | C23H26N4O7S | NEUTRAL | Details |
| B141415 | CHEMBL4783333 | -- | -- | 244.3 | C17H12N2 | NEUTRAL | Details |
| B141416 | CHEMBL4783339 | -- | -- | 4253.79 | C190H287N47O60S2 | None | Details |
| B141417 | CHEMBL478334 | Small molecule | -- | 414.51 | C26H26N2O3 | ACID | Details |
| B141418 | CHEMBL478335 | Small molecule | -- | 501.63 | C34H31NO3 | ACID | Details |
| B141419 | CHEMBL4783434 | -- | -- | 265.79 | C14H20ClN3 | NEUTRAL | Details |
| B141420 | CHEMBL4783445 | -- | -- | 284.79 | C13H21ClN4O | NEUTRAL | Details |
| B141421 | CHEMBL4783516 | -- | -- | 374.44 | C17H14N2O4S2 | ACID | Details |
| B141422 | CHEMBL4783659 | -- | -- | 419.44 | C23H21N3O5 | ACID | Details |
| B141423 | CHEMBL4783726 | -- | -- | 411.47 | C23H21N7O | NEUTRAL | Details |
| B141424 | CHEMBL4783736 | -- | -- | 5341.93 | C242H352N56O77S2 | None | Details |
| B141425 | CHEMBL4783749 | -- | -- | 451.93 | C24H23ClFN5O | NEUTRAL | Details |
| B141426 | CHEMBL4783777 | -- | -- | 615.68 | C34H35F2N5O4 | NEUTRAL | Details |
| B141427 | CHEMBL4783861 | -- | -- | 590.43 | C23H16Cl2F3N3O4S2 | NEUTRAL | Details |
| B141428 | CHEMBL4783934 | -- | -- | 469.97 | C25H28ClN3O4 | NEUTRAL | Details |
| B141429 | CHEMBL4783963 | -- | -- | 377.37 | C19H18F3N3O2 | NEUTRAL | Details |
| B141430 | CHEMBL47840 | Small molecule | -- | 225.25 | C13H11N3O | NEUTRAL | Details |
| B141431 | CHEMBL4784184 | -- | -- | 295.81 | C15H22ClN3O | NEUTRAL | Details |
| B141432 | CHEMBL4784273 | -- | -- | 1008.04 | C60H47F2N3O10 | None | Details |
| B141433 | CHEMBL4784296 | -- | -- | 405.41 | C22H19N3O5 | ACID | Details |
| B141434 | CHEMBL4784330 | -- | -- | 300.23 | C14H19Cl2N3 | NEUTRAL | Details |
| B141435 | CHEMBL4784400 | -- | -- | 373.84 | C19H20ClN3O3 | NEUTRAL | Details |
| B141436 | CHEMBL4784510 | -- | -- | 361.35 | C18H17F2N3O3 | NEUTRAL | Details |
| B141437 | CHEMBL4784529 | -- | -- | 429.93 | C20H20ClN5O2S | NEUTRAL | Details |
| B141438 | CHEMBL4784555 | -- | -- | 538.69 | C34H38N2O4 | ZWITTERION | Details |
| B141439 | CHEMBL4784621 | -- | -- | 309.84 | C16H24ClN3O | NEUTRAL | Details |
| B141440 | CHEMBL4784654 | -- | -- | 483.96 | C28H22ClN3O3 | ACID | Details |
| B141441 | CHEMBL4784688 | -- | -- | 5711.7 | C262H415N63O75S2 | None | Details |
| B141442 | CHEMBL4784739 | -- | -- | 426.94 | C24H27ClN2O3 | ACID | Details |
| B141443 | CHEMBL4784841 | -- | -- | 325.84 | C16H24ClN3O2 | NEUTRAL | Details |
| B141444 | CHEMBL4784851 | -- | -- | 5425.02 | C241H349N55O80S4 | None | Details |
| B141445 | CHEMBL4784855 | -- | -- | 573.49 | C30H29BrN4O3 | NEUTRAL | Details |
| B141446 | CHEMBL4784899 | -- | -- | 458.94 | C19H19ClN8O2S | NEUTRAL | Details |
| B141447 | CHEMBL4784974 | -- | -- | 445.35 | C23H22Cl2N2O3 | NEUTRAL | Details |
| B141448 | CHEMBL4785005 | -- | -- | 293.84 | C16H24ClN3 | BASE | Details |
| B141449 | CHEMBL4785057 | -- | -- | 543.11 | C33H35ClN2O3 | ZWITTERION | Details |
| B141450 | CHEMBL4785069 | -- | -- | 487.56 | C28H29N3O5 | ACID | Details |
| B141451 | CHEMBL4785302 | -- | -- | 386.25 | C15H20BrN3O4 | ACID | Details |
| B141452 | CHEMBL4785346 | -- | -- | 505.57 | C24H45NO6P2 | ACID | Details |
| B141453 | CHEMBL4785385 | -- | -- | 385.85 | C20H20ClN3O3 | NEUTRAL | Details |
| B141454 | CHEMBL4785602 | -- | -- | 358.51 | C19H26N4OS | BASE | Details |
| B141455 | CHEMBL478563 | Small molecule | -- | 457.53 | C27H27N3O4 | ACID | Details |
| B141456 | CHEMBL4785781 | -- | -- | 513.65 | C33H31N5O | NEUTRAL | Details |
| B141457 | CHEMBL4785785 | -- | -- | 531.53 | C27H28F3N3O5 | NEUTRAL | Details |
| B141458 | CHEMBL4785812 | -- | -- | 455.34 | C19H14F5N5O3 | NEUTRAL | Details |
| B141459 | CHEMBL4785821 | -- | -- | 422.48 | C21H30N2O7 | NEUTRAL | Details |
| B141460 | CHEMBL4785860 | -- | -- | 3890.32 | C180H266N38O58 | None | Details |
| B141461 | CHEMBL4785930 | -- | -- | 649.79 | C38H43N5O5 | NEUTRAL | Details |
| B141462 | CHEMBL4785950 | -- | -- | 476.58 | C27H32N4O4 | NEUTRAL | Details |
| B141463 | CHEMBL4785979 | -- | -- | 387.45 | C21H21N7O | NEUTRAL | Details |
| B141464 | CHEMBL4785988 | -- | -- | 512.01 | C25H23ClFN5O2S | NEUTRAL | Details |
| B141465 | CHEMBL4786035 | -- | -- | 333.79 | C15H19ClF3N3 | NEUTRAL | Details |
| B141466 | CHEMBL4786081 | -- | -- | 300.23 | C14H19Cl2N3 | NEUTRAL | Details |
| B141467 | CHEMBL4786095 | -- | -- | 414.46 | C25H22N2O4 | ACID | Details |
| B141468 | CHEMBL478629 | Small molecule | DORSOMORPHIN | 399.5 | C24H25N5O | BASE | Details |
| B141469 | CHEMBL4786299 | -- | -- | 509.62 | C33H32FNO3 | ZWITTERION | Details |
| B141470 | CHEMBL4786335 | -- | -- | 522.69 | C34H38N2O3 | ZWITTERION | Details |
| B141471 | CHEMBL478649 | Small molecule | -- | 348.45 | C22H24N2O2 | NEUTRAL | Details |
| B141472 | CHEMBL4786634 | -- | -- | 473.96 | C24H28ClN3O5 | NEUTRAL | Details |
| B141473 | CHEMBL4786636 | -- | -- | 569.46 | C30H27Cl2FN2O4 | ACID | Details |
| B141474 | CHEMBL4786700 | -- | -- | 279.34 | C15H21NO4 | ACID | Details |
| B141475 | CHEMBL478675 | Small molecule | -- | 395.5 | C24H29NO4 | ACID | Details |
| B141476 | CHEMBL4786842 | -- | -- | 408.26 | C15H18BrN7O2 | ACID | Details |
| B141477 | CHEMBL4786874 | -- | -- | 4907.66 | C217H350N58O67S2 | None | Details |
| B141478 | CHEMBL4786882 | -- | -- | 436.51 | C22H32N2O7 | NEUTRAL | Details |
| B141479 | CHEMBL4786921 | -- | -- | 279.81 | C15H22ClN3 | NEUTRAL | Details |
| B141480 | CHEMBL478694 | Small molecule | -- | 487.37 | C22H16Cl2N4O3S | NEUTRAL | Details |
| B141481 | CHEMBL4786999 | -- | -- | 324.38 | C16H24N2O5 | NEUTRAL | Details |
| B141482 | CHEMBL4787001 | -- | -- | 436.92 | C24H22ClFN4O | NEUTRAL | Details |
| B141483 | CHEMBL4787010 | -- | -- | 559.63 | C34H32F3NO3 | ACID | Details |
| B141484 | CHEMBL4787137 | -- | -- | 457.96 | C24H28ClN3O4 | NEUTRAL | Details |
| B141485 | CHEMBL4787180 | -- | -- | 490.51 | C22H23FN4O6S | NEUTRAL | Details |
| B141486 | CHEMBL4787238 | -- | -- | 376.42 | C19H20N8O | NEUTRAL | Details |
| B141487 | CHEMBL478725 | Small molecule | -- | 410.47 | C26H22N2O3 | ACID | Details |
| B141488 | CHEMBL478726 | Small molecule | -- | 422.48 | C27H22N2O3 | ACID | Details |
| B141489 | CHEMBL4787433 | -- | -- | 455.94 | C23H19ClFN3O2S | NEUTRAL | Details |
| B141490 | CHEMBL4787498 | -- | -- | 499.68 | C31H33NO3S | ZWITTERION | Details |
| B141491 | CHEMBL4787524 | -- | -- | 450.53 | C23H34N2O7 | NEUTRAL | Details |
| B141492 | CHEMBL478754 | Small molecule | -- | 339.39 | C20H21NO4 | NEUTRAL | Details |
| B141493 | CHEMBL4787617 | -- | -- | 409.83 | C21H16ClN3O4 | ACID | Details |
| B141494 | CHEMBL4787628 | -- | -- | 509.62 | C33H32FNO3 | ZWITTERION | Details |
| B141495 | CHEMBL4787702 | -- | -- | 449.51 | C28H23N3O3 | ACID | Details |
| B141496 | CHEMBL4787710 | -- | -- | 293.84 | C16H24ClN3 | NEUTRAL | Details |
| B141497 | CHEMBL4787790 | -- | -- | 511.59 | C28H29N7O3 | NEUTRAL | Details |
| B141498 | CHEMBL4787810 | -- | -- | 323.82 | C16H22ClN3O2 | NEUTRAL | Details |
| B141499 | CHEMBL4787815 | -- | -- | 333.79 | C15H19ClF3N3 | NEUTRAL | Details |
| B141500 | CHEMBL478791 | Small molecule | GERONTOXANTHONE I | 396.44 | C23H24O6 | NEUTRAL | Details |